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2-((1R,6S)-1-(1-hydroxy-1-phenylethyl)-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione
SpectraBase Compound ID 4J0MhzFJYcs
InChI InChI=1S/C22H22N2O3/c1-21(27,15-9-3-2-4-10-15)22-14-8-7-13-18(22)24(22)23-19(25)16-11-5-6-12-17(16)20(23)26/h2-6,9-12,18,27H,7-8,13-14H2,1H3/t18-,21?,22+,24?/m0/s1
InChIKey TXYDLSFEGPYDHE-UXIOJPRSSA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ro2GuzT56d
Name 2-((1R,6S)-1-(1-hydroxy-1-phenylethyl)-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c1-21(27,15-9-3-2-4-10-15)22-14-8-7-13-18(22)24(22)23-19(25)16-11-5-6-12-17(16)20(23)26/h2-6,9-12,18,27H,7-8,13-14H2,1H3/t18-,21?,22+,24?/m0/s1
InChIKey TXYDLSFEGPYDHE-UXIOJPRSSA-N
Literature Reference DOI 10.1021/ol802005n
Molecular Weight 362.429 g/mol
SMILES OC(C)(c1ccccc1)[C@]12CCCC[C@@]2(N1N1C(=O)c2c(cccc2)C1=O)[H]
SPLASH splash10-0006-9111000000-c57eedcd462e9a2c8b95
Source of Spectrum A1-10-4943/SMS3-2a
Wiley ID 1759998